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5beta-cholestane-3alpha,7alpha,27-triol
MNXM151435 is deprecated and here replaced by MNXM729417
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM729417 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
4 |
|
formula | C27H48O3 |
charge | 0 |
mass | 420.36035 |
reference | biggM:CE0233 |
InChIKey | UROPIWALBBMYRP-CVWSJRAXSA-N |
InChI | InChI=1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,26?,27-/m1/s1 |
SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CCC4(C)[C@@H]3CC[C@@]21C |
|
Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
Identifier | Description |
bigg.metabolite:CE0233 biggM:CE0233
| 5beta-cholestane-3alpha,7alpha,27-triol
|
biggM:M_CE0233
| secondary/obsolete/fantasy identifier
|